Acetyl-DL-carnitine

C9H17NO4CAS 14992-62-2203.24 g/mol

Open in Covalent MOL file
OOOO−N+
Carboxylic acidEsterQuaternary ammonium

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
-1.24Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14992-62-2
SMILES
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIKey
RDHQFKQIGNGIED-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3

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Names and synonyms

16 names · show all
  • 3-Acetyloxy-4-(trimethylazaniumyl)butanoate
  • DL-O-Acetylcarnitine
  • 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt
  • O-Acetylcarnitine
  • DL-Acetylcarnitine
  • 3-Acetoxy-4-(trimethylammonio)butanoate
  • 3-(Acetyloxy)-4-(trimethylazaniumyl)butanoate
  • Acetyl carnitine
  • Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, DL-
  • Acetyl-L-carnitine-(N-methyl-d3)
  • Acetyl-l-carnitine-d3
  • O-Acety-carnitine
  • O-Acetyl carnitine
  • (+/-)-Acetylcarnitine
  • 3-Carboxylato-2-acetyloxy-N,N,N-trimethyl-1-propanaminium
  • 3-Acetoxy-4-(trimethylammonio)butyrate

Work with Acetyl-DL-carnitine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetyl L-carnitine hydrochloride5080-50-2Salt, defined stereoisomer (±)-Acetylcarnitine chloride2504-11-2Salt

Similar compounds

Dromos119793-66-761 % similar (±)-Carnitine461-06-351 % similar (+)-Carnitine541-14-051 % similar (-)-Carnitine541-15-151 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-448 % similar Carnitine chloride461-05-248 % similar L-(-)-Carnitine hydrochloride6645-46-148 % similar Triacetin102-76-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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